Molecule

ID:87810

General Information
Structure
MolImage
Molecular Formula
C₆H₃IN₂
Molecular Mass
230.00589
Exact Mass
229.93409611
Charge
0
InChI
InChI=1S/C6H3IN2/c7-5-1-2-9-6(3-5)4-8/h1-3H
InChIKey
BGDBXTAJJAFSGO-UHFFFAOYSA-N
Canonic Smiles
Ic1cc(ncc1)C#N
Isomeric Smiles
n1c(cc(cc1)I)C#N
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.9264632
LogD (pH = 7.4)
1.9264643
Log P
1.9264644
Molar Refractivity
42.6132
Polarizability
16.533167
Polar Surface Area
36.68
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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